SCHEMBL6071371

SCHEMBL6071371

Oc1ncnc2c1cnn2-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
RAB9A P51151 11/20 0.51
NPC1 O15118 10/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 4/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
SLC2A1 P11166 2/20 0.50
SLC2A2 P11168 2/20 0.50
SLC2A3 P11169 2/20 0.50
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
EGFR P00533 1/20 0.49
CYP2C19 P33261 1/20 0.49
PI4KA P42356 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31337054 0.84 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL6282033 0.84 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL3967062 0.82 KDM4E (0.73) GSK3BRAB9ANPC1ALDH1A1KDM4E
SCHEMBL6071536 0.82 GSK3B (0.54) GSK3BRAB9ANPC1ALDH1A1KDM4E
SCHEMBL6071449 0.79 KDM4E (0.75) GSK3BRAB9ANPC1ALDH1A1KDM4E
SCHEMBL6207703 0.77 SLC2A1 (0.58) GSK3BRAB9ANPC1ALDH1A1KDM4E
SCHEMBL6204755 0.77 GSK3B (0.54) GSK3BRAB9ANPC1ALDH1A1KDM4E
SCHEMBL6205850 0.77 TP53 (0.62) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL12000977 0.76 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KDM4EHSD17B10
SCHEMBL6206486 0.75 GSK3B (0.60) GSK3BRAB9ANPC1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2006-07-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060167020-A1 Pyrazolopyrimidines as kinase inhibitors MAP3K12, MAP3K5, MAP3K2 GSK3B 591/4885RAB9A 2641/4885NPC1 3900/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.